2-Ethyl-2-phenylbutyronitrile
TL;DR: 2-Ethyl-2-phenylbutyronitrile (CAS 5336-57-2) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-phenylbutanenitrile
Also Known As: 2-ethyl-2-phenylbutanenitrile, 2-Ethyl-2-phenylbutyronitrile, Diethylbenzeneacetonitrile, 2-ethyl-2-phenyl-butanenitrile, 2-ethyl-2-phenyl-butyronitrile
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 5336-57-2 |
|---|---|
| SMILES | CCC(CC)(C#N)C1=CC=CC=C1 |
| InChIKey | NIWOFSGCBJZYJQ-UHFFFAOYSA-N |
Product Overview
2-Ethyl-2-phenylbutyronitrile (CAS 5336-57-2), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-ethyl-2-phenylbutanenitrile.
Chemical Property Profile of 2-Ethyl-2-phenylbutyronitrile
Property Insights of 2-Ethyl-2-phenylbutyronitrile
The XLogP value of 3.2 indicates that 2-Ethyl-2-phenylbutyronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Ethyl-2-phenylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-phenylbutyronitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethyl-2-phenylbutyronitrile?
The CAS number of 2-Ethyl-2-phenylbutyronitrile is 5336-57-2.
What is the molecular formula of 2-Ethyl-2-phenylbutyronitrile?
The molecular formula of 2-Ethyl-2-phenylbutyronitrile is C12H15N.
What is the molecular weight of 2-Ethyl-2-phenylbutyronitrile?
The molecular weight of 2-Ethyl-2-phenylbutyronitrile is 173.12 g/mol.
Where can I buy 2-Ethyl-2-phenylbutyronitrile?
You can request a quote for 2-Ethyl-2-phenylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-phenylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-phenylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.